C9Q

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Summary

Name:4-(3-chlorophenyl)-~{N}-ethyl-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide
Formula:C16 H14 Cl N3 O
Formal charge:0
Molecular weight:299.755 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.64-(3-chlorophenyl)-~{N}-ethyl-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C16H14ClN3O/c1-2-18-16(21)14-9-13-12(6-7-19-15(13)20-14)10-4-3-5-11(17)8-10/h3-9H,2H2,1H3,(H,18,21)(H,19,20)
InChIKeyInChI1.03AWWOSFPXOHAONT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCNC(=O)c1[nH]c2nccc(c3cccc(Cl)c3)c2c1
SMILESCACTVS3.385CCNC(=O)c1[nH]c2nccc(c3cccc(Cl)c3)c2c1
SMILES_CANONICALOpenEye OEToolkits2.0.6CCNC(=O)c1cc2c(ccnc2[nH]1)c3cccc(c3)Cl
SMILESOpenEye OEToolkits2.0.6CCNC(=O)c1cc2c(ccnc2[nH]1)c3cccc(c3)Cl